CID 6365617

65309-61-7

Structural Information

Molecular Formula
C18H34O3
SMILES
CCCCCCCCCCCCCC/C=C(\O)/OC(=O)C
InChI
InChI=1S/C18H34O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20)21-17(2)19/h16,20H,3-15H2,1-2H3/b18-16+
InChIKey
DMKWBHWIWNHTQD-FBMGVBCBSA-N
Compound name
[(E)-1-hydroxyhexadec-1-enyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.2508 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.25808 181.6
[M+Na]+ 321.24002 183.7
[M-H]- 297.24352 178.5
[M+NH4]+ 316.28462 196.3
[M+K]+ 337.21396 180.6
[M+H-H2O]+ 281.24806 175.1
[M+HCOO]- 343.24900 199.1
[M+CH3COO]- 357.26465 205.0
[M+Na-2H]- 319.22547 179.3
[M]+ 298.25025 187.1
[M]- 298.25135 187.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.